3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide

C16H16F2N2O — CID 109034228

IUPAC3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-11-3-2-4-13(9-11)20-16(21)7-8-19-12-5-6-14(17)15(18)10-12/h2-6,9-10,19H,7-8H2,1H3,(H,20,21)
InChIKeyKSRSIPZLLOULQC-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.71
Rot. Bonds5

About 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide

3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide (PubChem CID 109034228) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
PubChem CID109034228
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H16F2N2O/c1-11-3-2-4-13(9-11)20-16(21)7-8-19-12-5-6-14(17)15(18)10-12/h2-6,9-10,19H,7-8H2,1H3,(H,20,21)
InChIKeyKSRSIPZLLOULQC-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
N-(3,4-difluorophenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019740
3-(3-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 109034329
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
2-[(3,4-difluorophenyl)carbamoylamino]-N-(3-methylphenyl)acetamide
CID 42663674
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide (CID 109034228) is 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCNc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is KSRSIPZLLOULQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-11-3-2-4-13(9-11)20-16(21)7-8-19-12-5-6-14(17)15(18)10-12/h2-6,9-10,19H,7-8H2,1H3,(H,20,21).
What are the key properties of 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide?
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 290.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109034228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).